Vitas-M small molecule compound
ethyl 3-{2-[(4-ethoxyphenyl)carbonyl]-6-fluoro-1,1-dioxido-4H-1,4-benzothiazin-4-yl}benzoate
Catalog ID
STL095449
SMILES CCOc1ccc(cc1)C(=O)C1=CN(c2cccc(c2)C(=O)OCC)c2c(S1(=O)=O)ccc(c2)F
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C26H22FNO6S MW 495.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H22FNO6S/c1-3-33-21-11-8-17(9-12-21)25(29)24-16-28(20-7-5-6-18(14-20)26(30)34-4-2)22-15-19(27)10-13-23(22)35(24,31)32/h5-16H,3-4H2,1-2H3InChIKey
HKDAPVIYOPJODR-UHFFFAOYSA-NSynonyms
1114658-18-21114658182
CCOC1=CC=C(C=C1)C(=O)C2=CN(C3=C(S2(=O)=O)C=CC(=C3)F)C4=CC=CC(=C4)C(=O)OCC
ethyl3(2((4ethoxyphenyl)carbonyl)6fluoro11dioxido4H14benzothiazin4yl)benzoate
ETHYL3(2(4ETHOXYBENZOYL)6FLUORO11DIOXIDO4H14BENZOTHIAZIN4YL)BENZOATE
ETHYL3(2(4ETHOXYBENZOYL)6FLUORO11DIOXIDO4HBENZO(B)(14)THIAZIN4YL)BENZOATE
ethyl3(2(4ethoxybenzoyl)6fluoro11dioxo1$l^(6)4benzothiazin4yl)benzoate
InChI=1SC26H22FNO6Sc13332111817(91221)25(29)241628(2075618(1420)26(30)3442)221519(27)101323(22)35(2431)32h516H34H212H3
MFCD14953591
ZINC000032984457
ZINC32984457
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